1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(2-methoxyphenyl)piperazine

C20H24N2O3 — CID 44579184

IUPAC1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(CC2COc3ccccc3O2)CC1
InChIInChI=1S/C20H24N2O3/c1-23-18-7-3-2-6-17(18)22-12-10-21(11-13-22)14-16-15-24-19-8-4-5-9-20(19)25-16/h2-9,16H,10-15H2,1H3
InChIKeyIQDINXFLUAYBCC-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.66
Rot. Bonds4

About 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(2-methoxyphenyl)piperazine

1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(2-methoxyphenyl)piperazine (PubChem CID 44579184) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(2-methoxyphenyl)piperazine
PubChem CID44579184
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(CC2COc3ccccc3O2)CC1
InChIInChI=1S/C20H24N2O3/c1-23-18-7-3-2-6-17(18)22-12-10-21(11-13-22)14-16-15-24-19-8-4-5-9-20(19)25-16/h2-9,16H,10-15H2,1H3
InChIKeyIQDINXFLUAYBCC-UHFFFAOYSA-N
XLogP2.66
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(2-methoxyphenyl)piperazine (CID 44579184) is 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(2-methoxyphenyl)piperazine is COc1ccccc1N1CCN(CC2COc3ccccc3O2)CC1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(2-methoxyphenyl)piperazine?
The InChIKey is IQDINXFLUAYBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-23-18-7-3-2-6-17(18)22-12-10-21(11-13-22)14-16-15-24-19-8-4-5-9-20(19)25-16/h2-9,16H,10-15H2,1H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(2-methoxyphenyl)piperazine?
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(2-methoxyphenyl)piperazine has a molecular weight of 340.42 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 44579184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).